Home Nitriles 2-Chloro-6-formylbenzonitrile

2-Chloro-6-formylbenzonitrile

CAS No.:
77532-86-6
Catalog Number:
AG005H34
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
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Product Description
Catalog Number:
AG005H34
Chemical Name:
2-Chloro-6-formylbenzonitrile
CAS Number:
77532-86-6
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD10699534
IUPAC Name:
2-chloro-6-formylbenzonitrile
InChI:
InChI=1S/C8H4ClNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H
InChI Key:
YJNHLGKBKBWMNT-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C#N)Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties